AA29033
1246616-66-9 | Dimethyl 3-(benzyloxy)-4-oxo-4h-pyran-2,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA29033
ChemicalName
Dimethyl 3-(benzyloxy)-4-oxo-4h-pyran-2,5-dicarboxylate
CasNumber
1246616-66-9
MolecularFormula
C16H14O7
MolecularWeight
318.2782
MdlNumber
MFCD28128927
Smiles
COC(=O)c1occ(c(=O)c1OCc1ccccc1)C(=O)OC
Complexity
553
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
RotatableBondCount
7
Xlogp3
1.9
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CatalogNumber: AA29033
ChemicalName: Dimethyl 3-(benzyloxy)-4-oxo-4h-pyran-2,5-dicarboxylate
CasNumber: 1246616-66-9
MolecularFormula: C16H14O7
MolecularWeight: 318.2782
MdlNumber: MFCD28128927
Smiles: COC(=O)c1occ(c(=O)c1OCc1ccccc1)C(=O)OC
Complexity: 553
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
RotatableBondCount: 7
Xlogp3: 1.9
CatalogNumber:
AA29033
ChemicalName:
Dimethyl 3-(benzyloxy)-4-oxo-4h-pyran-2,5-dicarboxylate
CasNumber:
1246616-66-9
MolecularFormula:
C16H14O7
MolecularWeight:
318.2782
MdlNumber:
MFCD28128927
Smiles:
COC(=O)c1occ(c(=O)c1OCc1ccccc1)C(=O)OC
Complexity:
553
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
RotatableBondCount:
7
Xlogp3:
1.9
CatalogNumber: AA29034
ChemicalName: 1-Methylpiperazine-2-carboxylic acid
CasNumber: 1246609-06-2
MolecularFormula: C6H12N2O2
MolecularWeight: 144.1717
MdlNumber: MFCD09029212
Smiles: CN1CCNCC1C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: -3
CatalogNumber:
AA29034
ChemicalName:
1-Methylpiperazine-2-carboxylic acid
CasNumber:
1246609-06-2
MolecularFormula:
C6H12N2O2
MolecularWeight:
144.1717
MdlNumber:
MFCD09029212
Smiles:
CN1CCNCC1C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
-3
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Smiles: Brc1ccc(cc1)N(c1ccc2-c3c(C(c2c1)(C)C)cccc3)c1ccc(cc1)c1ccccc1
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Brc1ccc(cc1)N(c1ccc2-c3c(C(c2c1)(C)C)cccc3)c1ccc(cc1)c1ccccc1
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Smiles: Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
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Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
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